Cas no 79729-74-1 (1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl hexadecanoate)
79729-74-1 structure
Product Name:1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl hexadecanoate
CAS No:79729-74-1
MF:C36H58O7
MW:602.841532230377
CID:984844
PubChem ID:433148
Update Time:2025-04-20
1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl hexadecanoate Chemical and Physical Properties
Names and Identifiers
-
- 1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl hexadecanoate
- 79729-74-1
- DTXSID00330859
- NSC-324037
- KT-9 (FROM KYOTO UNIVERSITY)
- NSC324037
-
- Inchi： 1S/C36H58O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(38)43-32-25-19-20-26-34-23-42-36(41,35(26,32)30(39)24(25)2)31(40)29(34)33(3,4)22-21-27(34)37/h25-27,29,31-32,37,40-41H,2,5-23H2,1,3-4H3
- InChI Key： OYJIKEBRSYDFCO-UHFFFAOYSA-N
- SMILES： O1CC23C(CCC(C)(C)C2C(C1(C12C(C(=C)C(CCC31)C2OC(CCCCCCCCCCCCCCC)=O)=O)O)O)O
Computed Properties
- Exact Mass: 602.41825418g/mol
- Monoisotopic Mass: 602.41825418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 43
- Rotatable Bond Count: 16
- Complexity: 1040
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 113?2
1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl hexadecanoate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
79729-74-1 (1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl hexadecanoate) Related Products
- 304642-94-2(Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)-)
- 81263-98-1(ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester)
- 76470-15-0(Effusanin E)
- 30220-43-0(Effusanin A)
- 28957-08-6(Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7,14-trihydroxy-, (1a,6b,7a,14R)-)
- 28957-04-2(Oridonin)
- 77949-42-9(Kaur-16-en-15-one,11-(acetyloxy)-7,20- epoxy-6,7-dihydroxy-,(6â,7R,11R)-)
- 81263-97-0(ent-6,11-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester)
- 24267-69-4(Kaur-16-en-15-one,1,11-bis(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)-)
- 81263-96-9(ent-9-Hydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester)
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